REMARK  Name = BDB016460
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.951  -0.887   0.081  0.00  0.00    +0.158 C 
ATOM      2  N   LIG    1       -1.595  -0.875   0.363  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1       -0.789  -0.361  -0.519  0.00  0.00    +0.103 C 
ATOM      4  C   LIG    1       -1.372   0.179  -1.797  0.00  0.00    +0.077 C 
ATOM      5  C   LIG    1       -2.425  -0.852  -2.151  0.00  0.00    +0.118 C 
ATOM      6  C   LIG    1       -2.905  -0.360  -3.502  0.00  0.00    +0.027 C 
ATOM      7  C   LIG    1       -1.611   0.108  -4.186  0.00  0.00    +0.003 C 
ATOM      8  C   LIG    1       -0.558   0.245  -3.073  0.00  0.00    +0.013 C 
ATOM      9  N   LIG    1       -3.447  -0.863  -1.118  0.00  0.00    -0.261 NA
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -5.013  -0.169   1.411  0.00  0.00    -0.034 A 
ATOM     11  C   LIG    1       -3.847  -0.955   1.271  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -3.491  -1.879   2.270  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.293  -2.055   3.395  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.460  -1.314   3.529  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.817  -0.385   2.549  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -5.803   2.228   1.039  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -5.418   0.890   0.392  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1       -6.555   0.381  -0.497  0.00  0.00    +0.012 C 
ENDBRANCH  10  17
ENDBRANCH   1  11
BRANCH   3  19
ATOM     19  N   LIG    1        0.564  -0.261  -0.317  0.00  0.00    -0.328 N 
ATOM     20  H   LIG    1        1.085   0.372  -0.914  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.168  -0.514   0.973  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.665  -0.361   0.860  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        3.441  -1.383   0.299  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.825  -1.233   0.168  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        5.471  -0.060   0.588  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1        4.683   0.963   1.140  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        3.297   0.818   1.272  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.928   0.096   0.450  0.00  0.00    -0.018 A 
ATOM     29  C   LIG    1        7.564  -0.097  -0.789  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        8.947   0.051  -0.921  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        9.720   0.396   0.185  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        9.111   0.592   1.422  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        7.727   0.444   1.552  0.00  0.00    +0.008 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 6